Christos A Nicolaou
Christos A Nicolaou
Discovery Chemistry, Eli Lilly & Co.
Η διεύθυνση ηλεκτρονικού ταχυδρομείου έχει επαληθευτεί στον τομέα lilly.com
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Παρατίθεται από
Έτος
Multi-objective optimization methods in drug design
CA Nicolaou, N Brown
Drug Discovery Today: Technologies 10 (3), e427-e435, 2013
1172013
De novo drug design using multiobjective evolutionary graphs
CA Nicolaou, J Apostolakis, CS Pattichis
Journal of chemical information and modeling 49 (2), 295-307, 2009
1082009
Molecular optimization using computational multi-objective methods
CA Nicolaou, N Brown, CS Pattichis
Current Opinion in Drug Discovery and Development 10 (3), 316, 2007
1062007
Analysis of large screening data sets via adaptively grown phylogenetic-like trees
CA Nicolaou, SY Tamura, BP Kelley, SI Bassett, RF Nutt
Journal of chemical information and computer sciences 42 (5), 1069-1079, 2002
652002
Method and system for artificial intelligence directed lead discovery though multi-domain agglomerative clustering
JD MacCuish, CA Nicolaou
US Patent 6,625,585, 2003
612003
Ties in proximity and clustering compounds
J MacCuish, C Nicolaou, NE MacCuish
Journal of Chemical Information and Computer Sciences 41 (1), 134-146, 2001
582001
HIV-1 integrase: from biology to chemotherapeutics
E Zeinalipour-Loizidou, C Nicolaou, A Nicolaides, LG Kostrikis
Current HIV research 5 (4), 365-388, 2007
522007
Method and system for artificial intelligence directed lead discovery through multi-domain clustering
CA Nicolaou, BP Kelley, RF Nutt, SI Bassett
US Patent 6,904,423, 2005
502005
The Proximal Lilly Collection: mapping, exploring and exploiting feasible chemical space
CA Nicolaou, IA Watson, H Hu, J Wang
Journal of chemical information and modeling 56 (7), 1253-1266, 2016
472016
Multi-objective optimization methods in de novo drug design
C A Nicolaou, C Kannas, E Loizidou
Mini reviews in medicinal chemistry 12 (10), 979-987, 2012
302012
Current and future roles of artificial intelligence in medicinal chemistry synthesis
TJ Struble, JC Alvarez, SP Brown, M Chytil, J Cisar, RL DesJarlais, ...
Journal of medicinal chemistry 63 (16), 8667-8682, 2020
292020
Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets
Y Zhou, S Cahya, SA Combs, CA Nicolaou, J Wang, PV Desai, J Shen
Journal of chemical information and modeling 59 (3), 1005-1016, 2018
242018
A retrosynthetic analysis algorithm implementation
IA Watson, J Wang, CA Nicolaou
Journal of cheminformatics 11 (1), 1, 2019
212019
Idea2Data: Toward a New Paradigm for Drug Discovery
CA Nicolaou, C Humblet, H Hu, EM Martin, FC Dorsey, TM Castle, ...
ACS medicinal chemistry letters 10 (3), 278-286, 2019
212019
Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains
JA Johnson, CA Nicolaou, SE Kirberger, AK Pandey, H Hu, ...
ACS Medicinal Chemistry Letters 10 (12), 1648-1654, 2019
152019
Human shape recognition using the method of moments and artificial neural networks
CA Nicolaou, J AL Egbert, RC Lacher, SI Bassett
Neural Networks, 1999. IJCNN'99. International Joint Conference on 5, 3147-3151, 1999
141999
Building a tool to help teachers analyse learners’ interactions in a networked learning environment
O Petropoulou, I Altanis, S Retalis, CA Nicolaou, C Kannas, M Vasiliadou, ...
Educational Media International 47 (3), 231-246, 2010
132010
Molecular library design using multi-objective optimization methods
CA Nicolaou, CC Kannas
Chemical Library Design, 53-69, 2011
122011
Context Aware Data-Driven Retrosynthetic Analysis
CA Nicolaou, IA Watson, M LeMasters, T Masquelin, J Wang
Journal of chemical information and modeling 60 (6), 2728-2738, 2020
112020
Selectivity data: assessment, predictions, concordance, and implications
C Gao, S Cahya, CA Nicolaou, J Wang, IA Watson, DJ Cummins, ...
Journal of medicinal chemistry 56 (17), 6991-7002, 2013
112013
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